[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen

C16H19F2N2O7P — CID 142624427

IUPAC[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen
SMILESO=c1[nH]c(=O)n([C@H]2CC[C@@H](COP(=O)(O)OCc3ccc(F)cc3)O2)cc1F.[H][H]
InChIInChI=1S/C16H17F2N2O7P.H2/c17-11-3-1-10(2-4-11)8-25-28(23,24)26-9-12-5-6-14(27-12)20-7-13(18)15(21)19-16(20)22;/h1-4,7,12,14H,5-6,8-9H2,(H,23,24)(H,19,21,22);1H/t12-,14+;/m0./s1
InChIKeyBMCREYVEVSVAGF-DSHXVJGRSA-N
MW420.31 g/mol
LogP2.07
Rot. Bonds7

About [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen

[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen (PubChem CID 142624427) has the molecular formula C16H19F2N2O7P and a molecular weight of 420.31 g/mol. Its IUPAC name is [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen.

Molecular Properties

Compound Name[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen
PubChem CID142624427
Molecular FormulaC16H19F2N2O7P
Molecular Weight420.31 g/mol
Exact Mass420.09
IUPAC Name[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen
SMILESO=c1[nH]c(=O)n([C@H]2CC[C@@H](COP(=O)(O)OCc3ccc(F)cc3)O2)cc1F.[H][H]
InChIInChI=1S/C16H17F2N2O7P.H2/c17-11-3-1-10(2-4-11)8-25-28(23,24)26-9-12-5-6-14(27-12)20-7-13(18)15(21)19-16(20)22;/h1-4,7,12,14H,5-6,8-9H2,(H,23,24)(H,19,21,22);1H/t12-,14+;/m0./s1
InChIKeyBMCREYVEVSVAGF-DSHXVJGRSA-N
XLogP2.07
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethylphenyl)methyl [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 142624421
[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2,4,5-trifluorophenyl)methyl hydrogen phosphate
CID 142624414
[[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(methoxy)phosphoryl] hydrogen phosphate
CID 130458206
butyl [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 172568202
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-aminoacetate
CID 153342279
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211
5-fluoro-1-[5-[[hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(methylamino)oxolan-2-yl]methoxy]phosphinothioyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 174318070
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl 2-[12-(4-fluorophenyl)dodecoxy]ethyl hydrogen phosphate
CID 162744234
methyl-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 53436996
1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propyl hydrogen phosphite
CID 139341090
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-dihydroxy-trihydroxyphosphaniumyloxyphosphanium;methanol
CID 171528817

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen?
The IUPAC name of [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen (CID 142624427) is [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen.
What is the SMILES notation for [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen?
The canonical SMILES for [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen is O=c1[nH]c(=O)n([C@H]2CC[C@@H](COP(=O)(O)OCc3ccc(F)cc3)O2)cc1F.[H][H].
What is the InChIKey of [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen?
The InChIKey is BMCREYVEVSVAGF-DSHXVJGRSA-N. The full InChI is InChI=1S/C16H17F2N2O7P.H2/c17-11-3-1-10(2-4-11)8-25-28(23,24)26-9-12-5-6-14(27-12)20-7-13(18)15(21)19-16(20)22;/h1-4,7,12,14H,5-6,8-9H2,(H,23,24)(H,19,21,22);1H/t12-,14+;/m0./s1.
What are the key properties of [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen?
[(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen has a molecular weight of 420.31 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-fluorophenyl)methyl hydrogen phosphate;molecular hydrogen is sourced from PubChem (CID 142624427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).